(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine

C15H16FNS — CID 78938825

IUPAC(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
SMILESCc1cccc(Sc2cccc(F)c2[C@H](C)N)c1
InChIInChI=1S/C15H16FNS/c1-10-5-3-6-12(9-10)18-14-8-4-7-13(16)15(14)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1
InChIKeyZYYFZKFKCWCTHF-NSHDSACASA-N
MW261.37 g/mol
LogP4.31
Rot. Bonds3

About (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine

(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine (PubChem CID 78938825) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
PubChem CID78938825
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
SMILESCc1cccc(Sc2cccc(F)c2[C@H](C)N)c1
InChIInChI=1S/C15H16FNS/c1-10-5-3-6-12(9-10)18-14-8-4-7-13(16)15(14)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1
InChIKeyZYYFZKFKCWCTHF-NSHDSACASA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43103539
[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]methanamine
CID 79515180
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
1-fluoro-3-(3-methylphenyl)sulfanyl-2-nitrobenzene
CID 62688959
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 114000808
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 55239481
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83124060

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine (CID 78938825) is (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine is Cc1cccc(Sc2cccc(F)c2[C@H](C)N)c1.
What is the InChIKey of (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine?
The InChIKey is ZYYFZKFKCWCTHF-NSHDSACASA-N. The full InChI is InChI=1S/C15H16FNS/c1-10-5-3-6-12(9-10)18-14-8-4-7-13(16)15(14)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine?
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 78938825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).